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Expired Project

Modeling Oxidation States of Ce within Cerium Oxide using DFT+U and Hybrid-DFT : Choosing an Appropriate U

Project details

Project title: Modeling Oxidation States of Ce within Cerium Oxide using DFT+U and Hybrid-DFT : Choosing an Appropriate U
Project code: tcche014b
Project class: B

Start date: Tuesday 15 June 2010
End date: Saturday 15 September 2012

Full National Service

National Capability Service

People

Project PI: Dr. Natasha Galea
Number of users: 1
Registered users: 1

Resulting publications

Allocated resources

  Stokes Stoney Hamilton Walton Blue Gene
CPU (hours) 600000 0 0 0 0
Storage (GB.Year) 500 0 0 0 0

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